Reaction Details |
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Target | HIV-1 protease |
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Ligand | BDBM104107 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibition Assay |
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Ki | 0.146±0.071 nM |
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Citation | Shen, Y; Altman, MD; Ali, A; Nalam, MN; Cao, H; Rana, TM; Schiffer, CA; Tidor, B Testing the substrate-envelope hypothesis with designed pairs of compounds. ACS Chem Biol8:2433-41 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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HIV-1 protease |
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Name: | HIV-1 protease |
Synonyms: | HIV-1 protease wild type |
Type: | Protein |
Mol. Mass.: | 10757.68 |
Organism: | Human immunodeficiency virus |
Description: | O90785 |
Residue: | 99 |
Sequence: | PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYE
QVLIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
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BDBM104107 |
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n/a |
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Name | BDBM104107 |
Synonyms: | (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino]-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AF-68) |
Type | Small organic molecule |
Emp. Form. | C29H43N3O6S |
Mol. Mass. | 561.733 |
SMILES | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| |
Structure |
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